B4PVO8 -OEChem-04042105383D 36 39 0 0 0 0 0 0 0999 V2000 6.1932 -1.8382 -0.0102 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 3.1474 -0.0013 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4723 -1.5068 0.0057 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 0.2380 0.0064 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3825 0.5906 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 2.5795 0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5741 1.9185 -0.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -3.5272 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 -3.8309 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -2.0446 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 -2.5706 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 -0.1615 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7515 0.7904 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 2.1218 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 1.7582 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 1.5673 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 1.0081 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 1.5053 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -0.3692 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0795 0.6252 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -1.2493 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8584 -0.7520 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3435 -3.6859 1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 -4.1486 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 -4.7326 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 -3.9608 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -1.6248 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 -1.9099 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2499 -2.4162 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9425 -2.6373 0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3451 1.8578 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 2.8833 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 2.5761 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -0.8057 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0896 1.0268 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 -2.3202 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 4 16 2 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 14 2 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$